SCHEMBL3774653

SCHEMBL3774653

C=CCc1ccccc1S(=O)(=O)O.[Fe]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
POLB P06746 1/20 0.41
MYC P01106 1/20 0.40
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTR P02766 1/20 0.34
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30700 0.98 GABRA1 (0.44) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL6548552 0.98 GABRA1 (0.44) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL553258 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL10441275 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL27170 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Hydrochloric Acid SCHEMBL3958477 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Potassium SCHEMBL9463470 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Phosphine SCHEMBL4233486 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Phosphine SCHEMBL4233487 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Water SCHEMBL10337655 0.96 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
EP-2457909-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE Tokyo Institute of Technology (JP) 2012-05-30 EP disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE TST, WEE2, WEE1 GABRA1 3999/4885GABRB2 2283/4885POLB 3233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.